N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine

C15H24N2S — CID 115145366

IUPACN-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine
SMILESCCSc1ccc(NC2CCNC(C)(C)C2)cc1
InChIInChI=1S/C15H24N2S/c1-4-18-14-7-5-12(6-8-14)17-13-9-10-16-15(2,3)11-13/h5-8,13,16-17H,4,9-11H2,1-3H3
InChIKeyXEQGRMSNNRDSBL-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.74
Rot. Bonds4

About N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine

N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine (PubChem CID 115145366) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine
PubChem CID115145366
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine
SMILESCCSc1ccc(NC2CCNC(C)(C)C2)cc1
InChIInChI=1S/C15H24N2S/c1-4-18-14-7-5-12(6-8-14)17-13-9-10-16-15(2,3)11-13/h5-8,13,16-17H,4,9-11H2,1-3H3
InChIKeyXEQGRMSNNRDSBL-UHFFFAOYSA-N
XLogP3.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine?
The IUPAC name of N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine (CID 115145366) is N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine is CCSc1ccc(NC2CCNC(C)(C)C2)cc1.
What is the InChIKey of N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine?
The InChIKey is XEQGRMSNNRDSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-4-18-14-7-5-12(6-8-14)17-13-9-10-16-15(2,3)11-13/h5-8,13,16-17H,4,9-11H2,1-3H3.
What are the key properties of N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine?
N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine has a molecular weight of 264.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylphenyl)-2,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 115145366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).